N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propane-1-sulfonamide

C15H18FN3O2S — CID 113027137

IUPACN-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(NCc2ccc(F)cc2)cn1
InChIInChI=1S/C15H18FN3O2S/c1-2-9-22(20,21)19-15-8-7-14(11-18-15)17-10-12-3-5-13(16)6-4-12/h3-8,11,17H,2,9-10H2,1H3,(H,18,19)
InChIKeyWAMRJNDSHQNOFL-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.98
Rot. Bonds7

About N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propane-1-sulfonamide

N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propane-1-sulfonamide (PubChem CID 113027137) has the molecular formula C15H18FN3O2S and a molecular weight of 323.39 g/mol. Its IUPAC name is N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propane-1-sulfonamide
PubChem CID113027137
Molecular FormulaC15H18FN3O2S
Molecular Weight323.39 g/mol
Exact Mass323.11
IUPAC NameN-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(NCc2ccc(F)cc2)cn1
InChIInChI=1S/C15H18FN3O2S/c1-2-9-22(20,21)19-15-8-7-14(11-18-15)17-10-12-3-5-13(16)6-4-12/h3-8,11,17H,2,9-10H2,1H3,(H,18,19)
InChIKeyWAMRJNDSHQNOFL-UHFFFAOYSA-N
XLogP2.98
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(dimethylsulfamoylamino)-5-[(4-fluorophenyl)methylamino]pyridine
CID 113027139
N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]propane-1-sulfonamide
CID 113012956
4-[2-[[6-(propylsulfonylamino)-3-pyridinyl]amino]ethyl]benzenesulfonamide
CID 113028955
4-chloro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113027143
N-[4-[(4-fluorophenyl)methylamino]phenyl]ethanesulfonamide
CID 60932275
N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propanamide
CID 113027073
5-(dimethylsulfamoylamino)-2-[(4-fluorophenyl)methylamino]pyridine
CID 113012162
N-[5-(3,4-difluoroanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113037630
4-fluoro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113027151
N-[5-(4-methylanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113031592
N-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]propane-1-sulfonamide
CID 113029927
1-[4-[(4-fluorophenyl)methylamino]phenyl]-N-methylmethanesulfonamide
CID 110170599

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propane-1-sulfonamide?
The IUPAC name of N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propane-1-sulfonamide (CID 113027137) is N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propane-1-sulfonamide.
What is the SMILES notation for N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propane-1-sulfonamide?
The canonical SMILES for N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(NCc2ccc(F)cc2)cn1.
What is the InChIKey of N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propane-1-sulfonamide?
The InChIKey is WAMRJNDSHQNOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2S/c1-2-9-22(20,21)19-15-8-7-14(11-18-15)17-10-12-3-5-13(16)6-4-12/h3-8,11,17H,2,9-10H2,1H3,(H,18,19).
What are the key properties of N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propane-1-sulfonamide?
N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propane-1-sulfonamide has a molecular weight of 323.39 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propane-1-sulfonamide is sourced from PubChem (CID 113027137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).